input word = C00008881

Metabolite InformationStructural formula
Name Catechin 7,4'-di-O-gallate
Formula C29H22O14
Mw 594.10095541
CAS RN 110784-25-3
C_ID C00008881 ,
InChIKey DOWFCZXMYLDLMD-BUUNUKEDNA-N
InChICode InChI=1S/C29H22O14/c30-16-8-14(41-28(39)12-4-18(32)25(37)19(33)5-12)9-24-15(16)10-22(36)27(42-24)11-1-2-23(17(31)3-11)43-29(40)13-6-20(34)26(38)21(35)7-13/h1-9,22,27,30-38H,10H2/t22-,27+/m0/s1
SMILES O=C(Oc1cc(O)c2c(c1)O[C@H](c1ccc(OC(=O)c3cc(O)c(O)c(O)c3)c(O)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
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